(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid

C10H11N3O2 — CID 122049397

IUPAC(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccnc(N[C@@H](C)C(=O)O)c1C#N
InChIInChI=1S/C10H11N3O2/c1-6-3-4-12-9(8(6)5-11)13-7(2)10(14)15/h3-4,7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyDNHJCHXRQLKHFN-ZETCQYMHSA-N
MW205.22 g/mol
LogP1.15
Rot. Bonds3

About (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid

(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid (PubChem CID 122049397) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid
PubChem CID122049397
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid
SMILESCc1ccnc(N[C@@H](C)C(=O)O)c1C#N
InChIInChI=1S/C10H11N3O2/c1-6-3-4-12-9(8(6)5-11)13-7(2)10(14)15/h3-4,7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyDNHJCHXRQLKHFN-ZETCQYMHSA-N
XLogP1.15
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyano-4-methyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108497
4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 113413004
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 125137451
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyridine-3-carbonitrile
CID 115455046
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762686
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
CID 113412332
2-[(4-methyl-3-pyridinyl)amino]propanoic acid
CID 66173557
2-[(3-cyano-4-methyl-2-pyridinyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214067

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid (CID 122049397) is (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid is Cc1ccnc(N[C@@H](C)C(=O)O)c1C#N.
What is the InChIKey of (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid?
The InChIKey is DNHJCHXRQLKHFN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-3-4-12-9(8(6)5-11)13-7(2)10(14)15/h3-4,7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid?
(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 122049397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).